CID 135568456

Brn 4589167

Structural Information

Molecular Formula
C21H16N4O5
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C21H16N4O5/c26-19-4-2-1-3-16(19)13-22-24-21(28)15-5-9-17(10-6-15)23-20(27)14-7-11-18(12-8-14)25(29)30/h1-13,26H,(H,23,27)(H,24,28)/b22-13+
InChIKey
BFBCCLYKDHXMNO-LPYMAVHISA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11206 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11934 190.3
[M+Na]+ 427.10128 192.5
[M-H]- 403.10478 199.5
[M+NH4]+ 422.14588 197.7
[M+K]+ 443.07522 184.7
[M+H-H2O]+ 387.10932 183.7
[M+HCOO]- 449.11026 216.1
[M+CH3COO]- 463.12591 222.3
[M+Na-2H]- 425.08673 196.0
[M]+ 404.11151 187.2
[M]- 404.11261 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.